Compound Identification
SMILES
CC(=O)N[C@@H](CSC1OC(=O)C2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=RZGUBNUJBHQMNH-NKUHCKNESA-N
Formula
C13H13NO5S
Mass
295.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 8
N-acyl-alpha amino acids
- Level 9 N-acyl-L-alpha-amino acids
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Level 8
N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent
N-acyl-L-alpha-amino acids
Alternative Parents
Cysteine and derivatives Phthalides Benzofuranones Benzenoids Acetamides Monothioacetals Secondary carboxylic acid amides Carboxylic acid esters Lactones Carboxylic acids Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-l-alpha-amino acid - Cysteine or derivatives - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Benzenoid - Monothioacetal - Acetamide - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
External Descriptors
Not available